SCHEMBL9884693

SCHEMBL9884693

Cc1cc(N2CCN(C3CCCCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 15/20 0.51
CXCL12 P48061 1/20 0.51
HTT P42858 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
CRHBP P24387 1/20 0.45
PIK3CB P42338 1/20 0.45
CRHR2 Q13324 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9885841 1.00 CXCR4 (0.51) CXCR4CXCL12HTTMEN1ALDH1A1
SCHEMBL9885845 1.00 CXCR4 (0.51) CXCR4CXCL12HTTMEN1ALDH1A1
SCHEMBL13683489 0.94 HTT (0.53) CXCR4CXCL12HTTMEN1ALDH1A1
SCHEMBL9884664 0.91 CXCR4 (0.53) CXCR4CXCL12HTTMEN1ALDH1A1
SCHEMBL9884722 0.89 CXCR4 (0.51) CXCR4CXCL12HTTMEN1ALDH1A1
SCHEMBL9884669 0.89 CXCR4 (0.51) CXCR4CXCL12
SCHEMBL9884654 0.89 CXCR4 (0.51) CXCR4CXCL12
SCHEMBL9885767 0.89 CXCR4 (0.51) CXCR4CXCL12
SCHEMBL9884667 0.88 MEN1 (0.53) CXCR4CXCL12HTTMEN1ALDH1A1
SCHEMBL9884729 0.88 MEN1 (0.53) CXCR4CXCL12HTTMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 US disclosed
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090143302-A1 PYRIMIDINE COMPOUNDS TYMS, TYMP, HPRT1 CXCR4 247/4885CXCL12 109/4885HTT 2252/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.